NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
619504 5u6h 30207 cing 1-original 1 DYANA/DIANA dihedral angle


# Restraints file 1: angle_restraints_PW_pd1013.aco
                 # TALOS                  # HNHA 3J      
  2 ALA   PHI    -180     0
#  2 ALA   PSI
  3 VAL   PHI    -180     0
#  3 VAL   PSI
  4 SER   PHI    -180     0
#  4 SER   PSI
  5 VAL   PHI    -180     0   # 9 good   # 8.9 Hz 
#  5 VAL   PSI      89   179
  6 THR   PHI    -180    0   #10 good   # 7.5 Hz
#  6 THR   PSI      82   172
# 7 PRO   PHI    -180    0
#  7 PRO   PSI
 8 ILE   PHI    -180     0              # 8.1 Hz
#  8 ILE   PSI
 9 ARG+  PHI    -180     0              # 6.8 Hz  shoulder
#  9 ARG+  PSI
10 ASP-  PHI    -180     0              # 5.3 Hz  weak HA
# 10 ASP-  PSI
11 THR   PHI    -180     0
# 11 THR   PSI 
 12 LYS+  PHI    -180    0   # 9 warn
# 12 LYS+  PSI     -62    -2
# 13 TRP   PHI                            # 5.3 Hz
# 13 TRP   PSI
# 14 LEU   PHI    -165   -75   # 6 new    # 10.0 Hz 
# 14 LEU   PSI
#  15 THR   PHI    -147   -57   # 8 warn   # 6.5 Hz 
#  15 THR   PSI      84   174    
  16 LEU   PHI    -166   -76   #10 good   # 10.4 Hz  -> sheet
  16 LEU   PSI      96   186 
  17 GLU-  PHI    -140   -50   #10 good   # 6.0 Hz   -> sheet
  17 GLU-  PSI      99   179
  18 VAL   PHI    -130   -40   #10 good   # 6.7 Hz   -> sheet  close K91
  18 VAL   PSI      77   167
# 19 CYSZ  PHI    -126   -36   # 8 warn   # 3.4 Hz  
# 19 CYSZ  PSI      76   166
  20 ARG+  PHI    -109   -19   # 8 warn   # 3.7 Hz  -> helix
  20 ARG+  PSI     -88     2
  21 GLU-  PHI    -110   -20   # 9 good   # 6.3 Hz  -> helix   overlap R60,I81
  21 GLU-  PSI     -84     6
  22 PHE   PHI    -109   -19   #10 good   # 3.1 Hz  -> helix
  22 PHE   PSI     -87     3
  23 GLN   PHI    -108   -18   #10 good   # 4.2 Hz  -> helix
  23 GLN   PSI     -84     6
# 24 ARG+  PHI    -117   -57   # 7 warn   # 11.9 Hz
# 24 ARG+  PSI     -40    20
# 25 GLY   PHI                            # 5.7 Hz, 6.8 Hz
# 25 GLY   PSI
# 26 THR   PHI                            # 11.5 Hz
# 26 THR   PSI
# 27 CYS-  PHI    -136   -46   #10 good   # 7.9 Hz
# 27 CYS-  PSI      80   170
  28 SER   PHI    -180     0
# 28 SER   PSI
# 29 ARG+  PHI    -148   -58   #10 good   # 8.6 Hz
# 29 ARG+  PSI      81   171
# 30 PRO   PHI
# 30 PRO   PSI
# 31 ASP-  PHI                            # 2.8 Hz 
# 31 ASP-  PSI
# 32 THR   PHI                            # 6.0 Hz
# 32 THR   PSI
# 33 GLU-  PHI                            # 14.3 Hz
# 33 GLU-  PSI
# 34 CYS-  PHI                            # 4.8 Hz
# 34 CYS-  PSI
# 35 LYS+  PHI                            # 5.3 Hz
# 35 LYS+  PSI
# 36 PHE   PHI                            # 11.8 Hz  close D55
# 36 PHE   PSI
# 37 ALA   PHI                            # 4.4 Hz
# 37 ALA   PSI
# 38 HIS   PHI                            # 12.0 Hz
# 38 HIS   PSI
# 39 PRO   PHI     -94   -34   # 7 warn
# 39 PRO   PSI     111   171
  42 SER   PHI    -109   -19   # 9 good   # 8.5 Hz   weak
  42 SER   PSI     -82     2
# 43 CYS   PHI                            # 5.3 Hz
# 43 CYS   PSI
# 44 GLN   PHI    -140   -50   # 8 warn   # 8.2 Hz   -> sheet ?
# 44 GLN   PSI      85   175
  45 VAL   PHI    -153   -63   # 9 good   # 11.7 Hz  -> sheet ? 
  45 VAL   PSI      87   177
  46 GLU-  PHI    -153   -63   # 9 good   # 10.0 Hz  -> sheet ?
  46 GLU-  PSI      87   177
# 47 ASN   PHI    -112   -22   #10 good              
# 47 ASN   PSI      86   176
# 48 GLY   PHI                            # 4.0 Hz, 6.2 Hz
# 48 GLY   PSI
  49 ARG+  PHI    -176   -86   #10 good   # 10.4 Hz -> sheet  close L79
  49 ARG+  PSI     100   190
  50 VAL   PHI    -179   -89   #10 good   # 10.5 Hz -> sheet
  50 VAL   PSI     100   190
  51 ILE   PHI    -141   -51   #10 good   # 10.3 Hz -> sheet
  51 ILE   PSI      82   172
# 52 ALA   PHI    -128   -68   # 9 warn   # 5.7 Hz
# 52 ALA   PSI     102   162
  53 CYSZ  PHI    -130   -40   #10 good   # 4.6 Hz
  53 CYSZ  PSI      82   172
  54 PHE   PHI    -109   -19   # 9 good   # 3.3 Hz  -> helix
  54 PHE   PSI     -90     0
  55 ASP-  PHI    -108   -18   #10 good   # 4.3 Hz  -> helix
  55 ASP-  PSI     -88     2
  56 SER   PHI    -111   -21   #10 good   # 4.2 Hz  -> helix
  56 SER   PSI     -84     6
  57 LEU   PHI    -111   -21   #10 good   # 5.1 Hz  -> helix
  57 LEU   PSI     -88     2
# 58 LYS   PHI                            # 10.5 Hz
# 58 LYS   PSI
# 59 GLY   PHI                            # 6.7 Hz
# 59 GLY   PSI
# 60 ARG+  PHI                            # 7.1 Hz     overlap L79
# 60 ARG+  PSI
  61 CYS-  PHI    -133   -43   #10 good   # 10.3 Hz
  61 CYS-  PSI      85   175
# 62 SER   PHI    -180     0                                 weak
# 62 SER   PSI
  63 ARG+  PHI    -180     0              # 5.9+/-1.0 Hz
# 63 ARG+  PSI
  64 GLU-  PHI    -180     0                                 weak
# 64 GLU-  PSI
  65 ASN   PHI    -180     0                 # 8.2 Hz     weak, shoulder
# 65 ASN   PSI
# 66 CYS-  PHI                            # 3.4 Hz
# 66 CYS-  PSI
# 67 LYS+  PHI                            # 7.0 Hz
# 67 LYS+  PSI
# 68 TYR   PHI                            # 11.5 Hz
# 68 TYR   PSI 
# 69 LEU   PHI    -131   -71   # 9 warn   # 4.4 Hz
# 69 LEU   PSI      96   156
  70 HIS   PHI    -151   -61   #10 good   # 9.4 Hz
  70 HIS   PSI      79   169
# 75 LEU   PHI                            # 8.3 Hz
# 75 LEU   PSI
  76 LYS+  PHI    -109   -19   #10 good   # 4.4 Hz -> helix 
  76 LYS+  PSI     -87     3
  77 THR   PHI    -107   -17   #10 good   # 3.3 Hz -> helix
  77 THR   PSI     -87     3
  78 GLN   PHI    -108   -18   #10 good   # 4.4 Hz -> helix
  78 GLN   PSI     -87     3
  79 LEU   PHI    -109   -19   #10 good   # 4.6 Hz -> helix
  79 LEU   PSI     -83     7
  80 GLU-  PHI    -108   -18   #10 good   # 5.1 Hz -> helix
  80 GLU-  PSI     -83     7
  81 ILE   PHI    -109   -19   #10 good   # 5.4 Hz -> helix
  81 ILE   PSI     -85     5
  82 ASN   PHI    -112   -22   #10 good   # 5.1 Hz -> helix
  82 ASN   PSI     -81     9
# 83 GLY   PHI                            # 6.1 Hz
# 83 GLY   PSI
# 84 ARG+  PHI    -100   -40   # 8 warn   # 6.4 Hz
# 84 ARG+  PSI     -59     1
# 85 ASN   PHI                            # 6.7 Hz   weak
# 85 ASN   PSI  
# 86 ASN   PHI                            # 7.1 Hz   weak
# 86 ASN   PSI  
 87 LEU   PHI    -180     0              # 8.0 Hz   close I88
# 87 LEU   PSI
 88 ILE   PHI    -180     0              # 7.8 Hz   close L87
# 88 ILE   PSI
 89 GLN   PHI    -180     0              # 8.4 Hz   shoulder
# 89 GLN   PSI
 90 GLN   PHI    -180     0              # 7.5 Hz
# 90 GLN   PSI
 91 LYS+  PHI    -180     0              # 6.4 Hz   shoulder
# 91 LYS+  PSI
 92 ASN   PHI    -180     0              # 8.9 Hz


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